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CHEBI:171944 - 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate

ChEBI IDCHEBI:171944
ChEBI Name2-Methylpropyl 3-hydroxy-2-methylidenebutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESC=C(C(=O)OCC(C)C)C(C)O
InChIInChI=1S/C9H16O3/c1-6(2)5-12-9(11)7(3)8(4)10/h6,8,10H,3,5H2,1-2,4H3
InChIKeyYWLLUDSCDSOEDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-Methylpropyl 3-hydroxy-2-methylidenebutanoate (CHEBI:171944) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
2-methylpropyl 3-hydroxy-2-methylidenebutanoate
Manual XrefsDatabases
HMDB0040203HMDB
475432ChemSpider